1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine

C14H23NS2 — CID 105028207

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H23NS2/c1-3-10(4-2)7-12(15)14-8-11-9-16-6-5-13(11)17-14/h8,10,12H,3-7,9,15H2,1-2H3
InChIKeyFZSUWIYPSPJXES-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.36
Rot. Bonds5

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine (PubChem CID 105028207) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
PubChem CID105028207
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H23NS2/c1-3-10(4-2)7-12(15)14-8-11-9-16-6-5-13(11)17-14/h8,10,12H,3-7,9,15H2,1-2H3
InChIKeyFZSUWIYPSPJXES-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine (CID 105028207) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine is CCC(CC)CC(N)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine?
The InChIKey is FZSUWIYPSPJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-3-10(4-2)7-12(15)14-8-11-9-16-6-5-13(11)17-14/h8,10,12H,3-7,9,15H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine is sourced from PubChem (CID 105028207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).